Reactions of OH and NO3 Radicals with Phenol, Cresols, and 2-Nitrophenol at 296-K+-2-K. Atkinson, R., Aschmann, S., & Arey, J. Environ Sci Technol, 26(7):1397-1403, 1992.
Reactions of OH and NO3 Radicals with Phenol, Cresols, and 2-Nitrophenol at 296-K+-2-K [pdf]Paper  abstract   bibtex   
The nitrophenol products from the gas-phase reactions of OH and NO3 radicals with phenol and the cresols in the pressence of NO(x) have been investigated and rate constants for the reactions of the NO3 radical with phenol, the cresols, and 2-nitrophenol determined at 296 +/- 2 K. The rate constants obtained were (in cm3 molecule-1 s-1) phenol, 3.92 x 10(-12); o-cresol, 1.37 x 10(-11); m-cresol, 9.74 x 10(-12); p-cresol, 1.07 x 10(- 11); and 2-nitrophenol, < 2 x 10(-14). Reproducible data could not, however, be obtained for the dimethylphenols. Identical nitrophenol isomers were observed from the OH and NO3 radical reactions, and the nitrophenol products observed and their respective yields from the OH and NO3 radical reactions were the following: from phenol, 2-nitrophenol with yields of 0.067 +/- 0.015 and 0.251 +/- 0.051; from o-cresol, 6- methyl-2-nitrophenol with yields of 0.051 +/- 0.015 and 0.128 +/- 0.028; from m-cresol, 3-methyl-2-nitrophenol with yields of 0.016 +/- 0.010 and 0.168 +/- 0.029, and 5-methyl-2-nitrophenol with yields of approximately 0.016 and 0.196 +/- 0.036; and from p-cresol, 4-methyl-2- nitrophenol with yields of 0.10 +/- 0.04 and 0.74 +/- 0.16. These kinetic and product data are compared with the literature data, and the reaction mechanisms are discussed.

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